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Active learning of Gaussian process (GP) surrogates has been useful for optimizing experimental designs for physical/computer simulation experiments, and for steering data acquisition schemes in machine learning. In this paper, we develop a…

Machine Learning · Computer Science 2025-09-10 Chiwoo Park , Robert Waelder , Bonggwon Kang , Benji Maruyama , Soondo Hong , Robert Gramacy

Markov State Models (MSMs) are a powerful framework to reproduce the long-time conformational dynamics of biomolecules using a set of short Molecular Dynamics (MD) simulations. However, precise kinetics predictions of MSMs heavily rely on…

Biomolecules · Quantitative Biology 2018-06-27 Qihua Chen , Jiangyan Feng , Shriyaa Mittal , Diwakar Shukla

General-purpose agents require fine-grained controls and rich sensory inputs to perform a wide range of tasks. However, this complexity often leads to intractable decision-making. Traditionally, agents are provided with task-specific action…

Machine Learning · Computer Science 2024-06-25 Rafael Rodriguez-Sanchez , George Konidaris

Feature attribution is a fundamental task in both machine learning and data analysis, which involves determining the contribution of individual features or variables to a model's output. This process helps identify the most important…

Machine Learning · Computer Science 2023-10-26 Jinfeng Zhong , Elsa Negre

Physical models classically involved Partial Differential equations (PDE) and depending of their underlying complexity and the level of accuracy required, and known to be computationally expensive to numerically solve them. Thus, an idea…

Machine Learning · Computer Science 2025-05-14 Chetra Mang , Axel TahmasebiMoradi , David Danan , Mouadh Yagoubi

We present an approach for autonomous sensor control for information gathering under partially observable, dynamic and sparsely sampled environments that maximizes information about entities present in that space. We describe our approach…

Artificial Intelligence · Computer Science 2023-05-24 J. Brian Burns , Aravind Sundaresan , Pedro Sequeira , Vidyasagar Sadhu

In recent years several architectures have been proposed to learn embodied agents complex self-awareness models. In this paper, dynamic incremental self-awareness (SA) models are proposed that allow experiences done by an agent to be…

Computer Vision and Pattern Recognition · Computer Science 2018-06-12 Mahdyar Ravanbakhsh , Mohamad Baydoun , Damian Campo , Pablo Marin , David Martin , Lucio Marcenaro , Carlo S. Regazzoni

Adequate sampling space coverage is the keystone to effectively train trustworthy Machine Learning models. Unfortunately, real data do carry several inherent risks due to the many potential biases they exhibit when gathered without a proper…

Machine Learning · Computer Science 2025-03-27 Antonio Maratea , Rita Perna

Reliability assessment of engineering systems often requires repeated evaluations of limit-state functions that may rely on computationally expensive high-fidelity models, rendering direct sampling-based reliability analysis impractical. An…

Computational Engineering, Finance, and Science · Computer Science 2026-05-13 Jonathan A. Moran , Pablo G. Morato

Some of the most severe bottlenecks preventing widespread development of machine learning models for human behavior include a dearth of labeled training data and difficulty of acquiring high quality labels. Active learning is a paradigm for…

As trajectories sampled by policies used by reinforcement learning (RL) and generative flow networks (GFlowNets) grow longer, credit assignment and exploration become more challenging, and the long planning horizon hinders mode discovery…

Real-world cooperation often requires intensive coordination among agents simultaneously. This task has been extensively studied within the framework of cooperative multi-agent reinforcement learning (MARL), and value decomposition methods…

Robotics · Computer Science 2023-02-15 Shanqi Liu , Yujing Hu , Runze Wu , Dong Xing , Yu Xiong , Changjie Fan , Kun Kuang , Yong Liu

Perceptual features (PFs) have been used with great success in tasks such as transfer learning, style transfer, and super-resolution. However, the efficacy of PFs as key source of information for learning generative models is not well…

Computer Vision and Pattern Recognition · Computer Science 2019-08-01 Cicero Nogueira dos Santos , Youssef Mroueh , Inkit Padhi , Pierre Dognin

We study offline Reinforcement Learning in large infinite-horizon discounted Markov Decision Processes (MDPs) when the reward and transition models are linearly realizable under a known feature map. Starting from the classic linear-program…

Machine Learning · Computer Science 2024-05-24 Gergely Neu , Nneka Okolo

Adversarial examples have revealed the vulnerability of deep learning models and raised serious concerns about information security. The transfer-based attack is a hot topic in black-box attacks that are practical to real-world scenarios…

Computer Vision and Pattern Recognition · Computer Science 2025-05-07 Jian-Wei Li , Wen-Ze Shao

Active data acquisition is central to many learning and optimization tasks in deep neural networks, yet remains challenging because most approaches rely on predictive uncertainty estimates that are difficult to obtain reliably. To this end,…

Machine Learning · Statistics 2026-02-24 Weichi Yao , Bianca Dumitrascu , Bryan R. Goldsmith , Yixin Wang

Factorization machines (FM) are a popular model class to learn pairwise interactions by a low-rank approximation. Different from existing FM-based approaches which use a fixed rank for all features, this paper proposes a Rank-Aware FM…

Machine Learning · Computer Science 2019-05-21 Xiaoshuang Chen , Yin Zheng , Jiaxing Wang , Wenye Ma , Junzhou Huang

Adapting a single agent to a new multi-agent system brings challenges, necessitating adjustments across various tasks, environments, and interactions with unknown teammates and opponents. Addressing this challenge is highly complex, and…

Multiagent Systems · Computer Science 2025-06-23 Chenxu Wang , Yonggang Jin , Cheng Hu , Youpeng Zhao , Zipeng Dai , Jian Zhao , Shiyu Huang , Liuyu Xiang , Junge Zhang , Zhaofeng He

We consider a class of stochastic programming problems where the implicitly decision-dependent random variable follows a nonparametric regression model with heteroscedastic error. The Clarke subdifferential and surrogate functions are not…

Optimization and Control · Mathematics 2025-05-13 Boyang Shen , Junyi Liu

Evidence-based decision-making entails collecting (costly) observations about an underlying phenomenon of interest, and subsequently committing to an (informed) decision on the basis of accumulated evidence. In this setting, active sensing…

Machine Learning · Statistics 2020-06-26 Daniel Jarrett , Mihaela van der Schaar